[3-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-oxidanyl-propoxy]methylphosphonic acid

Systemtic Name: [3-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-oxidanyl-propoxy]methylphosphonic acid Openeye Name: [3-(2-amino-6-thioxo-3H-purin-9-yl)-2-hydroxy-propoxy]methylphosphonic acid CAS Name: [3-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-hydroxypropoxy]methylphosphonic acid IUPAC Name: [3-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-hydroxypropoxy]methylphosphonic acid Traditional Name: [3-(2-amino-6-thioxo-3H-purin-9-yl)-2-hydroxy-propoxy]methylphosphonic acid Formula: C9H14N5O5PS MolecularWeight: 335.276721

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(COCP(=O)(O)O)O)NC(=NC2=S)N

Isomeric SMILES

C1=NC2=C(N1CC(COCP(=O)(O)O)O)NC(=NC2=S)N

InChI

InChI=1S/C9H14N5O5PS/c10-9-12-7-6(8(21)13-9)11-3-14(7)1-5(15)2-19-4-20(16,17)18/h3,5,15H,1-2,4H2,(H2,16,17,18)(H3,10,12,13,21)